2-Octanone
TL;DR: 2-Octanone (CAS 111-13-7) is a chemical compound with molecular formula C8H16O and molecular weight 128.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-2-one
Also Known As: Octan-2-one, 2-OCTANONE, Hexyl methyl ketone, Methyl hexyl ketone, n-Hexyl methyl ketone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12012 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.12012 Da |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
| Melting Point | -16 °C |
| Boiling Point | 173.5 |
| Density | 0.820 at 20 °C/4 °C |
| Flash Point | 125 °F (52 °C) (Closed cup) |
| Vapor Pressure | 1.35 [mmHg] |
| Refractive Index | Index of refraction: 1.41512 at 20 degC/D |
| Solubility | Miscible with alcohol, ether |
| SMILES | CCCCCCC(=O)C |
| InChIKey | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
Product Description
Applications: 2-Octanone is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Octanone (CAS 111-13-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Octanone is a organic building block identified by CAS number 111-13-7 and the molecular formula C8H16O and a molecular weight of 128.12 g/mol. Physically, the compound has a density of 0.820 at 20 °C/4 °C g/cm³, a solubility: Miscible with alcohol, ether. It is also known as Octan-2-one and 2-OCTANONE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Octanone
Property Insights of 2-Octanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Octanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Octanone?
The CAS number of 2-Octanone is 111-13-7.
What is the molecular formula of 2-Octanone?
The molecular formula of 2-Octanone is C8H16O.
What is the molecular weight of 2-Octanone?
The molecular weight of 2-Octanone is 128.12012 g/mol.
What are the applications of 2-Octanone?
2-Octanone is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Octanone (CAS 111-13-7) with custom...
Where can I buy 2-Octanone?
You can request a quote for 2-Octanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Octanone?
Yes, CoreyChem provides custom synthesis services for 2-Octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.